SCHEMBL7685310

SCHEMBL7685310

O=[N+]([O-])c1ccc2nc(Cl)nc(NC/C=C/c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
KMT2A Q03164 1/20 0.53
DHFR P00374 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.44
PDE5A O76074 4/20 0.44
EGFR P00533 1/20 0.43
PIN1 Q13526 3/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7968455 0.84 PIN1 (0.48) KMT2ADHFRABCG2PDE5AEGFR
Hydrochloric Acid SCHEMBL7685769 0.83 PIN1 (0.48) KMT2ADHFRABCG2PDE5AEGFR
SCHEMBL7678891 0.83 KMT2A (0.53) OPRK1KMT2ADHFRABCG2PDE5A
SCHEMBL7677192 0.81 PDE5A (0.64) OPRK1KMT2AABCG2PDE5AEGFR
SCHEMBL7685891 0.80 KMT2A (0.49) OPRK1KMT2AABCG2PDE5APIN1
SCHEMBL7694158 0.79 KMT2A (0.55) OPRK1KMT2AABCG2PDE5AEGFR
SCHEMBL7681181 0.77 KMT2A (0.53) OPRK1KMT2AABCG2PDE5AEGFR
SCHEMBL8898615 0.77 ABCG2 (0.71) OPRK1KMT2AABCG2EGFRPIN1
SCHEMBL7685179 0.76 KMT2A (0.52) OPRK1KMT2AABCG2PDE5AEGFR
SCHEMBL7685862 0.75 RIPK1 (0.55) OPRK1KMT2AABCG2PDE5AEGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT OPRK1 445/4885KMT2A 948/4885DHFR 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.